1-(1-chloro-2-methylpentyl)-2-methylnaphthalene

C17H21Cl — CID 81431735

IUPAC1-(1-chloro-2-methylpentyl)-2-methylnaphthalene
SMILESCCCC(C)C(Cl)c1c(C)ccc2ccccc12
InChIInChI=1S/C17H21Cl/c1-4-7-13(3)17(18)16-12(2)10-11-14-8-5-6-9-15(14)16/h5-6,8-11,13,17H,4,7H2,1-3H3
InChIKeyHJLPHPGPTJTTTP-UHFFFAOYSA-N
MW260.81 g/mol
LogP5.86
Rot. Bonds4

About 1-(1-chloro-2-methylpentyl)-2-methylnaphthalene

1-(1-chloro-2-methylpentyl)-2-methylnaphthalene (PubChem CID 81431735) has the molecular formula C17H21Cl and a molecular weight of 260.81 g/mol. Its IUPAC name is 1-(1-chloro-2-methylpentyl)-2-methylnaphthalene.

Molecular Properties

Compound Name1-(1-chloro-2-methylpentyl)-2-methylnaphthalene
PubChem CID81431735
Molecular FormulaC17H21Cl
Molecular Weight260.81 g/mol
Exact Mass260.13
IUPAC Name1-(1-chloro-2-methylpentyl)-2-methylnaphthalene
SMILESCCCC(C)C(Cl)c1c(C)ccc2ccccc12
InChIInChI=1S/C17H21Cl/c1-4-7-13(3)17(18)16-12(2)10-11-14-8-5-6-9-15(14)16/h5-6,8-11,13,17H,4,7H2,1-3H3
InChIKeyHJLPHPGPTJTTTP-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.81
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-methylpentyl)-2-methylnaphthalene?
The IUPAC name of 1-(1-chloro-2-methylpentyl)-2-methylnaphthalene (CID 81431735) is 1-(1-chloro-2-methylpentyl)-2-methylnaphthalene.
What is the SMILES notation for 1-(1-chloro-2-methylpentyl)-2-methylnaphthalene?
The canonical SMILES for 1-(1-chloro-2-methylpentyl)-2-methylnaphthalene is CCCC(C)C(Cl)c1c(C)ccc2ccccc12.
What is the InChIKey of 1-(1-chloro-2-methylpentyl)-2-methylnaphthalene?
The InChIKey is HJLPHPGPTJTTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl/c1-4-7-13(3)17(18)16-12(2)10-11-14-8-5-6-9-15(14)16/h5-6,8-11,13,17H,4,7H2,1-3H3.
What are the key properties of 1-(1-chloro-2-methylpentyl)-2-methylnaphthalene?
1-(1-chloro-2-methylpentyl)-2-methylnaphthalene has a molecular weight of 260.81 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-methylpentyl)-2-methylnaphthalene is sourced from PubChem (CID 81431735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).